methyl 3-chloranyl-6-[(2-methylpyrazol-3-yl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2-methylpyrazol-3-yl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-methylpyrazole-3-carbonyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[(2-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2-methylpyrazole-3-carbonyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2-methylpyrazole-3-carbonyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H13ClN4O3S2 MolecularWeight: 408.88242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CN1C(=CC=N1)C(=O)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C16H13ClN4O3S2/c1-21-10(5-6-18-21)14(22)20-16(25)19-8-3-4-9-11(7-8)26-13(12(9)17)15(23)24-2/h3-7H,1-2H3,(H2,19,20,22,25)